UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

The Effect of Different Substances Embedded in Fullerene Cavity on Surfactant Self-Assembly Behavior through Molecular Dynamics Simulation

Molecules (Basel, Switzerland), 2024-05, Vol.29 (10), p.2355

2024

Volltextzugriff (PDF)

Molecular Dynamics Simulations on the Adsorbed Monolayers of N-Dodecyl Betaine at the Air-Water Interface

Molecules (Basel, Switzerland), 2023-07, Vol.28 (14), p.5580

2023

Volltextzugriff (PDF)

Molecular Dynamics Study on the Aggregation Behavior of Triton X Micelles with Different PEO Chain Lengths in Aqueous Solution

Molecules (Basel, Switzerland), 2023-04, Vol.28 (8), p.3557

2023

Volltextzugriff (PDF)

DFT Study of Cluster Size-Dependent Structures and Properties of (HClGaN3)n (n = 1–6) Clusters

Russian Journal of Physical Chemistry A, 2021-04, Vol.95 (Suppl 1), p.S120-S127

2021

Volltextzugriff (PDF)

The Excited State and Charge Transfer of Two Nonfullerene Acceptors from First-Principles Many-Body Green’s Function Theory

Journal of chemistry, 2022, Vol.2022, p.1-8

2022

Volltextzugriff (PDF)

Probing the Structures and Properties of Asymmetric Clusters (CH3ClBN3)n (n = 1–6) with Density Functional Theory

Russian Journal of Physical Chemistry A, 2020, Vol.94 (1), p.134-142

2020

Volltextzugriff (PDF)

Synergistic effect of POSS and chitosan on highly enhancing the separation selectivity and antifouling capacity of polyamide membranes

Desalination, 2024-03, Vol.573, p.117215, Article 117215

2024

Volltextzugriff (PDF)

Theoretical investigation of the effect of the solvent, hydrogen bond and amino group on the isomerization of Rhodamines

Computational and theoretical chemistry, 2014-12, Vol.1050, p.1-6

2014

Volltextzugriff (PDF)

The excited states and electronic energy transfer of cyano-substituted organic materials: A many-body Green’s function theory study

Computational and theoretical chemistry, 2024-08, Vol.1238, p.114737, Article 114737

2024

Volltextzugriff (PDF)

Exploring relationship of the state of N-dodecyl betaine in the solution monomer, at the interface and in the micelle via configurational entropy

Colloids and surfaces. A, Physicochemical and engineering aspects, 2020-09, Vol.600, p.124975, Article 124975

2020

Volltextzugriff (PDF)

Structures and properties of ionic crystals and condensed phase ionic liquids predicted with the generalized energy‐based fragmentation method

Journal of computational chemistry, 2022-04, Vol.43 (10), p.704-716

2022

Volltextzugriff (PDF)

Theoretical investigation of AhR binding property with relevant structural requirements for AhR-mediated toxicity of polybrominated diphenyl ethers

Chemosphere (Oxford), 2020-06, Vol.249, p.126554-126554, Article 126554

2020

Volltextzugriff (PDF)

Molecular dynamics study on the effect of surfactant mixture on their packing states in mixed micelles

Colloids and surfaces. A, Physicochemical and engineering aspects, 2021-12, Vol.631, p.127714, Article 127714

2021

Volltextzugriff (PDF)

The charge-transfer states and excitation energy transfers of halogen-free organic molecules from first-principles many-body Green’s function theory

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2023-02, Vol.286, p.121925, Article 121925

2023

Volltextzugriff (PDF)

A molecular dynamics study on the dependence of phase behaviors and structural properties of two-dimensional interfacial monolayer on surface area

Applied surface science, 2018-11, Vol.459, p.741-748

2018

Volltextzugriff (PDF)

Structures and dynamics of protic [EtNH3][NO3] and aprotic [Emim][NO3] ionic liquid mixtures around the single-walled carbon nanotubes: The critical role of imidazolium-based cations

Journal of molecular liquids, 2023-12, Vol.392, p.123464, Article 123464

2023

Volltextzugriff (PDF)

Insight into the stabilization mechanism of imidazole-based ionic liquids at the interface of the carbon nanotubes: A computational study

Journal of molecular liquids, 2023-04, Vol.375, p.121320, Article 121320

2023

Volltextzugriff (PDF)

Molecular dynamics simulations on fullerene surfactants with different charges at the air-water interface

Physical chemistry chemical physics : PCCP, 2020-07, Vol.22 (28), p.16353-16358

2020

Volltextzugriff (PDF)

Effect of different counterions on the self-assembly structures and properties of imidazole based ionic liquids surfactant: A molecular dynamics study

Journal of molecular liquids, 2023-12, Vol.391, p.123277, Article 123277

2023

Volltextzugriff (PDF)

Molecular dynamics study on the aggregation behaviours of Platonic micelle in different NaCl solutions

Journal of molecular liquids, 2022-05, Vol.353, p.118828, Article 118828

2022

Volltextzugriff (PDF)

Fabrication of polyamide/zwitterion functionalized mesoporous silica nanofiltration membrane with highly enhanced antifouling performance

Journal of the Taiwan Institute of Chemical Engineers, 2023-06, Vol.147, p.104892, Article 104892

2023

Volltextzugriff (PDF)

Knowledge Imparting Collaboration with Course Ideology and Politics, and Comprehensive Education Inducing Ability Training: Taking Aldehyde and Ketone Teaching as an Example

Daxue huaxue, 2022, p.2205098

2022

Volltextzugriff (PDF)

Molecular dynamics study on TOTO-based ionic liquids with different cations

Fluid phase equilibria, 2021-02, Vol.529, p.112870, Article 112870

2021

Volltextzugriff (PDF)

Time-dependent density functional theory study on the absorption spectrum of Coumarin 102 and its hydrogen-bonded complexes

Journal of computational chemistry, 2011-02, Vol.32 (3), p.545-553

2011

Volltextzugriff (PDF)

A molecular dynamics study combining with entropy calculation on the packing state of hydrophobic chains in micelle interior

Journal of molecular liquids, 2019-06, Vol.283, p.860-866

2019

Volltextzugriff (PDF)

1 – 25 von 115

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(103)
Mit Volltextzugriff
(105)

Publikationsform

Artikel
(113)
Tagungsberichte
(2)

Sprache

Erscheinungsjahr

n.n

Thema

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

The Effect of Different Substances Embedded in Fullerene Cavity on Surfactant Self-Assembly Behavior through Molecular Dynamics Simulation

Molecular Dynamics Simulations on the Adsorbed Monolayers of N-Dodecyl Betaine at the Air-Water Interface

Molecular Dynamics Study on the Aggregation Behavior of Triton X Micelles with Different PEO Chain Lengths in Aqueous Solution

DFT Study of Cluster Size-Dependent Structures and Properties of (HClGaN3)n (n = 1–6) Clusters

The Excited State and Charge Transfer of Two Nonfullerene Acceptors from First-Principles Many-Body Green’s Function Theory

Probing the Structures and Properties of Asymmetric Clusters (CH3ClBN3)n (n = 1–6) with Density Functional Theory

Synergistic effect of POSS and chitosan on highly enhancing the separation selectivity and antifouling capacity of polyamide membranes

Theoretical investigation of the effect of the solvent, hydrogen bond and amino group on the isomerization of Rhodamines

The excited states and electronic energy transfer of cyano-substituted organic materials: A many-body Green’s function theory study

Exploring relationship of the state of N-dodecyl betaine in the solution monomer, at the interface and in the micelle via configurational entropy

Structures and properties of ionic crystals and condensed phase ionic liquids predicted with the generalized energy‐based fragmentation method

Theoretical investigation of AhR binding property with relevant structural requirements for AhR-mediated toxicity of polybrominated diphenyl ethers

Molecular dynamics study on the effect of surfactant mixture on their packing states in mixed micelles

The charge-transfer states and excitation energy transfers of halogen-free organic molecules from first-principles many-body Green’s function theory

A molecular dynamics study on the dependence of phase behaviors and structural properties of two-dimensional interfacial monolayer on surface area

Structures and dynamics of protic [EtNH3][NO3] and aprotic [Emim][NO3] ionic liquid mixtures around the single-walled carbon nanotubes: The critical role of imidazolium-based cations

Insight into the stabilization mechanism of imidazole-based ionic liquids at the interface of the carbon nanotubes: A computational study

Molecular dynamics simulations on fullerene surfactants with different charges at the air-water interface

Effect of different counterions on the self-assembly structures and properties of imidazole based ionic liquids surfactant: A molecular dynamics study

Molecular dynamics study on the aggregation behaviours of Platonic micelle in different NaCl solutions

Fabrication of polyamide/zwitterion functionalized mesoporous silica nanofiltration membrane with highly enhanced antifouling performance

Knowledge Imparting Collaboration with Course Ideology and Politics, and Comprehensive Education Inducing Ability Training: Taking Aldehyde and Ketone Teaching as an Example

Molecular dynamics study on TOTO-based ionic liquids with different cations

Time-dependent density functional theory study on the absorption spectrum of Coumarin 102 and its hydrogen-bonded complexes

A molecular dynamics study combining with entropy calculation on the packing state of hydrophobic chains in micelle interior

Suchergebnisse filtern